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PDB: 23 results

8HQ4
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BU of 8hq4 by Molmil
B27 in complex with CRM1-Ran-RanBP1
Descriptor: 3-[(4-fluorophenyl)carbonylamino]-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoic acid, CHLORIDE ION, CRM1 isoform 1, ...
Authors:Lei, Y, Sun, Q.
Deposit date:2022-12-13
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:B27 in complex with CRM1-Ran-RanBP1
To Be Published
7Y8J
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BU of 7y8j by Molmil
3D1 in complex with 6-mer HR1 peptide from SARS-CoV-2
Descriptor: Spike protein S2', heavy chain of 3D1, light chain of 3D1
Authors:Lei, Y.
Deposit date:2022-06-24
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Cross-reactive epitopes between HIV and Coronavirus revealed by 3D1
To Be Published
8TNT
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BU of 8tnt by Molmil
Crystal structure of Epstein-Barr virus gH/gL/gp42 in complex with antibodies F-2-1 and 769C2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 769C2 heavy chain, 769C2 light chain, ...
Authors:Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I.
Deposit date:2023-08-02
Release date:2024-03-27
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
8TOO
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BU of 8too by Molmil
Crystal structure of Epstein-Barr virus gp42 in complex with antibody 4C12
Descriptor: 4C12 heavy chain, 4C12 light chain, Glycoprotein 42
Authors:Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I.
Deposit date:2023-08-03
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
8TNN
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BU of 8tnn by Molmil
Crystal structure of Epstein-Barr virus gH/gL/gp42 in complex with gp42 antibody A10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, A10 heavy chain, A10 light chain, ...
Authors:Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I.
Deposit date:2023-08-02
Release date:2024-03-27
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
8HQ5
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BU of 8hq5 by Molmil
G6 in complex with CRM1-Ran-RanBP1
Descriptor: 3-[(4-bromophenyl)carbonylamino]-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2022-12-13
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:F1 in complex with CRM1-Ran-RanBP1
To Be Published
8HUF
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BU of 8huf by Molmil
B28 in complex with CRM1-Ran-RanBP1
Descriptor: 3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid, BROMIDE ION, CHLORIDE ION, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2022-12-23
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:B28 in complex with CRM1-Ran-RanBP1
To Be Published
8HUG
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BU of 8hug by Molmil
F1 in complex with CRM1-Ran-RanBP1
Descriptor: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid, CHLORIDE ION, CRM1 isoform 1, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2022-12-23
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:F1 in complex with CRM1-Ran-RanBP1
To Be Published
7DBG
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BU of 7dbg by Molmil
Yeast CRM1e (apo) in complex with Ran-RanBP1
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, CRM1 isoform 1, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-10-20
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
5YWP
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BU of 5ywp by Molmil
JEV-2H4 Fab complex
Descriptor: 2H4 heavy chain, 2H4 light chain, JEV E protein, ...
Authors:Qiu, X.D, Lei, Y.F, Yang, P, Gao, Q, WANG, N, Cao, L, Yuan, S, Wang, X.X, Xu, Z.K, Rao, Z.H.
Deposit date:2017-11-29
Release date:2018-05-02
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
5YWO
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BU of 5ywo by Molmil
Structure of JEV-2F2 Fab complex
Descriptor: 2F2 heavy chain, 2F2 light chain, JEV E protein, ...
Authors:Qiu, X, Lei, Y.F, Yang, P, Gao, Q, Wang, N, Cao, L, Yuan, S, Wang, X, Xu, Z.K, Rao, Z.
Deposit date:2017-11-29
Release date:2018-03-21
Last modified:2018-09-12
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
7CND
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BU of 7cnd by Molmil
NCI-1 in complex with CRM1-Ran-RanBP1
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, CRM1 isoform 1, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-07-31
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Design of the First Noncovalent Small-Molecule Inhibitor of CRM1.
J.Med.Chem., 64, 2021
7C9J
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BU of 7c9j by Molmil
Transglutaminase from Geobacillus stearothermophilus (without C-terminal extension)
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Protein-glutamine gamma-glutamyltransferase
Authors:Takita, T, Mikami, B, Lei, Y, Jing, Y, Yamada, A, Yasukawa, K.
Deposit date:2020-06-06
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Transglutaminase from Geobacillus stearothermophilus (without C-terminal extension)
To be published
5YWF
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BU of 5ywf by Molmil
Crystal structure of 2H4 Fab
Descriptor: 2H4 heavy chain, 2H4 light chain
Authors:Qiu, X, Lei, Y, Yang, P, Gao, Q, Wang, N, Cao, L, Wang, X, Xu, Z.K, Rao, Z.
Deposit date:2017-11-29
Release date:2018-03-21
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
5ZPU
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BU of 5zpu by Molmil
LFS829 in complex with CRM1-Ran-RanBP1
Descriptor: (Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol, CHLORIDE ION, Exportin-1,Exportin-1, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2018-04-16
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:To be published
To Be Published
6M60
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BU of 6m60 by Molmil
Plumbagin in complex with CRM1#-Ran-RanBP1
Descriptor: (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-03-12
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
6M6X
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BU of 6m6x by Molmil
Oridonin in complex with CRM1#-Ran-RanBP1
Descriptor: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-03-16
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
7YPZ
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BU of 7ypz by Molmil
Zafirlukast in complex with CRM1-Ran-RanBP1
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2022-08-05
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Searching for Novel Noncovalent Nuclear Export Inhibitors through a Drug Repurposing Approach.
J.Med.Chem., 66, 2023
6LQ9
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BU of 6lq9 by Molmil
S109 in complex with CRM1-Ran-RanBP1
Descriptor: (3~{R},4~{S})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione, CHLORIDE ION, Exportin-1, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-01-13
Release date:2021-06-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Guided Design of the First Noncovalent Small-Molecule Inhibitor of CRM1.
J.Med.Chem., 64, 2021
6KYB
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BU of 6kyb by Molmil
Crystal structure of Atg18 from Saccharomyces cerevisiae
Descriptor: Autophagy-related protein 18
Authors:Tang, D, Lei, Y, Liao, G, Chen, Q, Xu, L, Lu, K, Qi, S.
Deposit date:2019-09-17
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of Atg18 reveals a new binding site for Atg2 in Saccharomyces cerevisiae.
Cell.Mol.Life Sci., 78, 2021
7DKM
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BU of 7dkm by Molmil
PHGDH covalently linked to oridonin
Descriptor: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CHLORIDE ION, D-3-phosphoglycerate dehydrogenase, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-11-25
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biophysical and biochemical properties of PHGDH revealed by studies on PHGDH inhibitors.
Cell.Mol.Life Sci., 79, 2021
6JTP
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BU of 6jtp by Molmil
Crystal structure of HLA-C08 in complex with a tumor mut9m peptide
Descriptor: 9-mer peptide, Beta-2-microglobulin, HLA class I antigen, ...
Authors:Bai, P, Zhou, Q, Wei, P, Lei, Y.
Deposit date:2019-04-11
Release date:2020-04-15
Last modified:2021-02-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy.
Oncoimmunology, 10, 2021
6JTO
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BU of 6jto by Molmil
Crystal structure of HLA-C05 in complex with a tumor mut10m peptide
Descriptor: 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Bai, P, Zhou, Q, Wei, P, Lei, Y.
Deposit date:2019-04-11
Release date:2020-04-15
Last modified:2021-05-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rational discovery of a cancer neoepitope harboring the KRAS G12D driver mutation.
Sci China Life Sci, 2021

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PDB entries from 2024-04-24

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